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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha4beta1 (VLA-4)' and Ligand = 'BDBM17223'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17223
PNG
((2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1
Show InChI InChI=1/C29H28Cl2N4O6S/c30-24-15-19(16-25(31)34-24)27(36)32-20-10-6-17(7-11-20)14-23(29(38)39)33-28(37)26-18-8-12-21(13-9-18)35(26)42(40,41)22-4-2-1-3-5-22/h1-7,10-11,15-16,18,21,23,26H,8-9,12-14H2,(H,32,36)(H,33,37)(H,38,39)/t18?,21?,23-,26-/s2
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 12n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Immulon 96-well plates were coated with recombinant hVCAM-1 overnight at 4 C. Plates were washed and blocked for 1 h at room temperature in PBS-BSA....


Bioorg Med Chem 14: 4208-16 (2006)


Article DOI: 10.1016/j.bmc.2006.01.067
BindingDB Entry DOI: 10.7270/Q2RJ4GR4
More data for this
Ligand-Target Pair